BioLiP

PDB

BioLiP

PDB CCD ID:

IL5

Number of entries in BioLiP:

Chemical formula:

C7 H6 N2 O5 S2

InChI:

InChI=1S/C7H6N2O5S2/c8-15(11,12)4-1-2-5-6(3-4)16(13,14)9-7(5)10/h1-3H,(H,9,10)(H2,8,11,12)

InChIKey:

CRSHTYPFKXPVRE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc2c(cc1S(=O)(=O)N)S(=O)(=O)NC2=O
CACTVS 3.385	N[S](=O)(=O)c1ccc2C(=O)N[S](=O)(=O)c2c1
ACDLabs 12.01	O=S(=O)(c1ccc2c(c1)S(=O)(=O)NC2=O)N

Name:

3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide

ChEMBL:

CHEMBL4456920

ZINC:

ZINC000143422332

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).